SCHEMBL11064652

SCHEMBL11064652

CCOC(=O)CC(C)(C)C(Cl)C=C(Cl)C(C)Cl

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
HSD11B1 P28845 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11064648 1.00 MGAM (0.33) MGAMGAASIMGAM2HSD11B1
SCHEMBL9796690 0.86 GAA (0.36) MGAMGAASIMGAM2HSD11B1
SCHEMBL11864569 0.85 CYP1A2 (0.33) MGAMGAASIMGAM2CYP1A2
SCHEMBL11067626 0.84 ALDH1A1 (0.37) MGAMGAASIMGAM2HSD11B1
SCHEMBL10837376 0.81 MGAM (0.32) MGAMGAASIMGAM2HSD11B1
SCHEMBL10837382 0.81 MGAM (0.32) MGAMGAASIMGAM2HSD11B1
SCHEMBL9796959 0.76 GAA (0.36) MGAMGAASIMGAM2HSD11B1
SCHEMBL9796952 0.76 GAA (0.36) MGAMGAASIMGAM2HSD11B1
SCHEMBL11063245 0.74 SMN1; SMN2 (0.43) GAAHSD11B1CYP1A2CYP2C9CYP2C19
SCHEMBL11623796 0.73 HSD11B1 (0.38) MGAMGAASIMGAM2HSD11B1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-52087114-A None JP disclosed
US-4468521-A Method of producing gamma-halogeno-delta unsaturated carboxylic acid esters KURARAY CO., LTD. (JP) 1984-08-28 US disclosed
US-4458090-A RECYCLING LACTONE BY-PRODUCT KURARAY CO., LTD. (JP) 1984-07-03 US disclosed
JP-S5287114-A GAMMA-HALO-DELTA-UNSATURATED CARBOXYLIC ESTERS KURARAY CO LTD 1977-07-20 JP disclosed